UCSF

ZINC22703036

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 33 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.79 7.68 -20.23 2 8 0 81 468.579 8
Lo Low (pH 4.5-6) 1.79 9.66 -57.95 3 8 1 82 469.587 8

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.